2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol

C8H13NO2 — CID 44574372

IUPAC2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1cocn1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7(10)6-4-11-5-9-6/h4-5,7,10H,1-3H3
InChIKeyIYGTYZWZTXHYQF-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol

2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol (PubChem CID 44574372) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol
PubChem CID44574372
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1cocn1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7(10)6-4-11-5-9-6/h4-5,7,10H,1-3H3
InChIKeyIYGTYZWZTXHYQF-UHFFFAOYSA-N
XLogP1.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Oxazol-4-yl)ethan-1-ol
CID 17813802
(1R)-1-(1,3-oxazol-4-yl)ethanol
CID 130351725
(1S)-1-(1,3-oxazol-4-yl)ethanol
CID 130351873
2,2-Dimethyl-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-ol
CID 44574303
CID 178199917
CID 178199917
CID 178199954
CID 178199954
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(1,3-oxazol-4-yl)propanoate
CID 134967747
4,4,4-Trifluoro-1-(oxazol-4-yl)butan-1-ol
CID 118196770
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
CID 135295963
1,4,4-Trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
CID 153380464
Tert-butyl-dimethyl-[2-methyl-1-(1,3-oxazol-4-yl)propoxy]silane
CID 134890534
1-(1,3-Oxazol-4-yl)propan-2-ol
CID 22220870

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol (CID 44574372) is 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol is CC(C)(C)C(O)c1cocn1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol?
The InChIKey is IYGTYZWZTXHYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)7(10)6-4-11-5-9-6/h4-5,7,10H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol?
2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-oxazol-4-yl)propan-1-ol is sourced from PubChem (CID 44574372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).